Methyl 3-oxocyclopentane-1-carboxylate

C₇H₁₀O₃CAS 32811-75-9142.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀O₃
Molar mass: 142.15 g/mol
Exact mass: 142.0630 Da
logP: 0.53Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage95.1% of notifiers
H411 Toxic to aquatic life with long lasting effects95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number

32811-75-9

SMILES

COC(=O)C1CCC(=O)C1

InChIKey

KTGCFXSELRVRFH-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Oxo-cyclopentanecarboxylic acid methyl ester

Work with Methyl 3-oxocyclopentane-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-oxocyclohexanecarboxylate6297-22-978 % similar Methyl 3-oxocyclobutanecarboxylate695-95-470 % similar Ethyl 3-oxocyclopentane-1-carboxylate5400-79-363 % similar Methyl cyclopropanecarboxylate2868-37-359 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-259 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-059 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-155 % similar Methyl cyclopentanecarboxylate4630-80-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 Ethyl 3-oxopent-4-enoate22418-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9

Elsewhere

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